ChemSpider 2D Image | Gossypol | C30H30O8


  • Molecular FormulaC30H30O8
  • Average mass518.554 Da
  • Monoisotopic mass518.194092 Da
  • ChemSpider ID3383

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)- [ACD/Index Name]
1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-diméthyl-2,2'-binaphtalène-8,8'-dicarbaldéhyde [French] [ACD/IUPAC Name]
1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde [ACD/IUPAC Name]
1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalin-8,8'-dicarbaldehyd [German] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-22957 [DBID]
AIDS000457 [DBID]
AIDS-000457 [DBID]
AIDS001235 [DBID]
AIDS-001235 [DBID]
AIDS044146 [DBID]
AIDS-044146 [DBID]
AT 101 [DBID]
BRN 1917878 [DBID]
C07667 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      198 °C LKT Labs [G5874]
    • Experimental Solubility:

      Soluble in DMSO, methanol or ethanol. Insoluble in water. LKT Labs [G5874]
      Soluble to 100 mM in DMSO and to 100 mM in ethanol Tocris Bioscience 3367
      Soluble to 25 mM in ethanol and to 25 mM in DMSO Tocris Bioscience 1964
      Soluble to 25 mM in ethanol with gentle warming and to 25 mM in DMSO Tocris Bioscience 1964
  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 707.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 395.9±28.0 °C
Index of Refraction: 1.742
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14281.62
ACD/KOC (pH 5.5): 32483.58
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 3506.46
ACD/KOC (pH 7.4): 7975.46
Polar Surface Area: 156 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 369.6±3.0 cm3

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